4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone
TL;DR: 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone (CAS 80408-87-3) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
Also Known As: HEPTANOIC ACID,, HEPTANOIC ACID, 6,6-Dimethyl-hept-1-en, HEPTANOIC ACID DER., 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 80408-87-3 |
|---|---|
| SMILES | CC(=O)CCC1CC(=O)OC1(C)C |
| InChIKey | AWQSAIIDOMEEOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone (CAS 80408-87-3), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: 5,5-dimethyl-4-(3-oxobutyl)oxolan-2-one.
Chemical Property Profile of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone
Property Insights of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone?
The CAS number of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone is 80408-87-3.
What is the molecular formula of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone?
The molecular formula of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone is C10H16O3.
What is the molecular weight of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone?
The molecular weight of 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone is 184.11 g/mol.
Where can I buy 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone?
You can request a quote for 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.